⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8978040 | 0.86 | — | — | |
| SCHEMBL19492325 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL7999098 | 0.65 | — | — | |
| SCHEMBL9750872 | 0.65 | — | — | |
| SCHEMBL9751039 | 0.65 | — | — | |
| SCHEMBL5670418 | 0.63 | — | — | |
| SCHEMBL5962534 | 0.63 | — | — | |
| SCHEMBL2507037 | 0.62 | — | — | |
| SCHEMBL20969155 | 0.62 | MEN1 (0.36) | — | |
| SCHEMBL9646957 | 0.62 | MT-CO2 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906014-A1 | SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES | BAYER AG (DE) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997046094-A1 | SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | disclosed |